Paroxetine mesylate - ≥98% , Serotonin transporter inhibitor, CAS No.217797-14-3, Serotonin transporter inhibitor

CAS: 217797-14-3 Cat. No.: P413251 Summenformel: C₁₉H₂₀FNO₃.CH₄O₃S Molekulargewicht: 425.47 EG-Nummer: 688-144-6 PubChem CID: 9845306

GRADE & PURITY ≥98%

Synonyms

Carboxiamidotriazol | PAROXETINE MESILATE [WHO-DD] | (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine methanesulfonate | 5,6beta-epoxy-cholesterol | M711N184JE | Paroxetine mesylate (USAN) | CHEBI:32181 | CCG-268946 | PIPERIDIN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Paroxetine mesylate Paroxetine Mesylate is the mesylate salt form of paroxetine, a phenylpiperidine derivative and a selective serotonin reuptake inhibitor (SSRI) with antidepressant and anxiolytic properties.

Specifications

Synonyme

Carboxiamidotriazol | PAROXETINE MESILATE [WHO-DD] | (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine methanesulfonate | 5,6beta-epoxy-cholesterol | M711N184JE | Paroxetine mesylate (USAN) | CHEBI:32181 | CCG-268946 | PIPERIDIN

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Paroxetine Mesylate is the mesylate salt form of paroxetine, a phenylpiperidine derivative and a selective serotonin reuptake inhibitor (SSRI) with antidepressant and anxiolytic properties.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Serotonin transporter inhibitor

Reinheit

≥98%

Produkteigenschaften

• ALogP: 2.815
• HBD-Zahl: 1
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 488196357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196357
• Kanonisches Lächeln: CS(=O)(=O)O.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
• IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;methanesulfonic acid
• InChIKey: SHIJTGJXUHTGGZ-RVXRQPKJSA-N
• INCHI: 1S/C19H20FNO3.CH4O3S/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-5(2,3)4/h1-6,9,14,17,21H,7-8,10-12H2;1H3,(H,2,3,4)/t14-,17-;/m0./s1
• Isomere SMILES: CS(=O)(=O)O.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
• PubChem CID: 9845306
• Molekulargewicht: 425.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Benzodioxoles Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Methanesulfonates Organosulfonic acids Sulfonyls Alkanesulfonic acids Dialkylamines Azacyclic compounds Acetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organofluorides
• Molecular Framework: Not available
• Substituents: Phenylpiperidine - Benzodioxole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Acetal - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 85 mg/mL (199.77 mM); Water: 10 mg/mL (23.5 mM)
• DMSO (mg/ml) Maximale Löslichkeit: 85
• DMSO (mM) Maximale Löslichkeit: 199.778568630987
• Wasser (mg/ml) Maximale Löslichkeit: -1
• Wasser (mM) Maximale Löslichkeit: -2.35033610154102
• Molekulargewicht: 425.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 425.131 Da
• Monoisotopic Mass: 425.131 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 495.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3